pyridin-1-ium-3-ol

C5H6NO+ — CID 14387726

IUPACpyridin-1-ium-3-ol
SMILESOc1ccc[nH+]c1
InChIInChI=1S/C5H5NO/c7-5-2-1-3-6-4-5/h1-4,7H/p+1
InChIKeyGRFNBEZIAWKNCO-UHFFFAOYSA-O
MW96.11 g/mol
LogP0.21
Rot. Bonds

About pyridin-1-ium-3-ol

pyridin-1-ium-3-ol (PubChem CID 14387726) has the molecular formula C5H6NO+ and a molecular weight of 96.11 g/mol. Its IUPAC name is pyridin-1-ium-3-ol.

Molecular Properties

Compound Namepyridin-1-ium-3-ol
PubChem CID14387726
Molecular FormulaC5H6NO+
Molecular Weight96.11 g/mol
Exact Mass96.04
IUPAC Namepyridin-1-ium-3-ol
SMILESOc1ccc[nH+]c1
InChIInChI=1S/C5H5NO/c7-5-2-1-3-6-4-5/h1-4,7H/p+1
InChIKeyGRFNBEZIAWKNCO-UHFFFAOYSA-O
XLogP0.21
TPSA34.37 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.11
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of pyridin-1-ium-3-ol?
The IUPAC name of pyridin-1-ium-3-ol (CID 14387726) is pyridin-1-ium-3-ol.
What is the SMILES notation for pyridin-1-ium-3-ol?
The canonical SMILES for pyridin-1-ium-3-ol is Oc1ccc[nH+]c1.
What is the InChIKey of pyridin-1-ium-3-ol?
The InChIKey is GRFNBEZIAWKNCO-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H5NO/c7-5-2-1-3-6-4-5/h1-4,7H/p+1.
What are the key properties of pyridin-1-ium-3-ol?
pyridin-1-ium-3-ol has a molecular weight of 96.11 g/mol, XLogP of 0.21, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-1-ium-3-ol is sourced from PubChem (CID 14387726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).